UCSF

ZINC49570025

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 17 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.86 -0.62 -38.4 0 6 -1 84 233.203 3
Lo Low (pH 4.5-6) 0.40 2.06 -7.93 1 6 0 81 234.211 3

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.